909912-96-5

Basic information

• Product Name: 4-fluoro-1-phenylbutane
• Synonyms: 4-fluoro-1-phenylbutane
• CAS NO: 909912-96-5
• Molecular Weight: 152.212
• Mol File: 909912-96-5.mol
• Article Data: 11

Chemical Properties

• CAS DataBase Reference: 4-fluoro-1-phenylbutane(CAS DataBase Reference)
• NIST Chemistry Reference: 4-fluoro-1-phenylbutane(909912-96-5)
• EPA Substance Registry System: 4-fluoro-1-phenylbutane(909912-96-5)

Safety Data

• Hazardous Substances Data: 909912-96-5(Hazardous Substances Data)

Upstream product

• 3360-41-6 4-phenyl-butan-1-ol 
• 373-52-4 bromofluoromethane 
• 637-59-2 1-Bromo-3-phenylpropane 
• 4830-93-7 1-Chloro-4-phenylbutane 
• 18328-11-5 3-benzyl propionaldehyde 
• 1120341-22-1 1-fluoro-1,1-bis(phenylsulfonyl)-4-phenyl-butane 
• 112775-09-4 4-phenylbutyl 4-methylbenzenesulfonate 
• 1133140-33-6 4-phenylbutyl 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonate 

Downstream Products

• 69122-51-6 Dibutyl-(4-phenyl-butyl)-amine 

Relevant articles and documents

Diversity-Oriented Synthesis of Aliphatic Fluorides via Reductive C(sp3)?C(sp3) Cross-Coupling Fluoroalkylation

Monofluorinated alkyl compounds are of great importance in pharmaceuticals, agrochemicals and materials. Herein, we describe a direct nickel-catalyzed monofluoromethylation of unactivated alkyl halides using a low-cost industrial raw material, bromofluoromethane, by demonstrating a general and efficient reductive cross-coupling of two alkyl halides. Results with 1-bromo-1-fluoroalkane also demonstrate the viability of monofluoroalkylation, which further established the first example of reductive C(sp3)-C(sp3) cross-coupling fluoroalkylation. These transformations demonstrate high efficiency, mild conditions, and excellent functional-group compatibility, especially for a range of pharmaceuticals and biologically active compounds. Mechanistic studies support a radical pathway. Kinetic studies reveal that the reaction is first-order dependent on catalyst and alkyl bromide whereas the generation of monofluoroalkyl radical is not involved in the rate-determining step. This strategy provides a general and efficient method for the synthesis of aliphatic fluorides.

Fluorination reagent and deoxygenation fluorination method

In order to overcome the problems of high cost and poor stability of the existing deoxidation fluorination reagent, the invention provides a fluorination reagent. The fluorination reagent comprises acation M and an anion, and the anion is selected from one or more of the following perfluoropolyether chain carboxylic acid anions: CF3 (OCF2) nCO2, and n is selected from 1-10. Meanwhile, the invention further discloses a deoxidation fluorination method. The fluorination reagent provided by the invention has the advantages that the materials are easy to obtain, the fluorination products can beobtained at higher yield for various alcohol substrates, and the universality for different alcohol substrates is better.

METAL OXIDE CATALYZED RADIOFLUORINATION

Inter alia, the first titania-catalyzed [18F]-radiofluorination in highly aqueous medium is provided. In embodiments, the method utilizes titanium dioxide, 1 : 1 acetonitrile- thexyl alcohol solvent mixture and tetrabutylammonium bicarbonate as a base. Radiolabeling may be directly performed with aqueous [18F]fluoride without the need for drying/azeotroping step, which reduces radiosynthesis time while keeping high fluoride conversion. The general applicability of the synthetic strategy to the synthesis of the wide range of PET probes from tosylated precursors is demonstrated.